SCHEMBL6236962

SCHEMBL6236962

CNc1[nH]nc(CCO)c1N

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.38
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Sulfuric Acid SCHEMBL9355323 0.92 TKT (0.34) TKT
SCHEMBL6961995 0.82 HCAR2 (0.34)
SCHEMBL9355615 0.80 ILK (0.32) TKTALDH1A1
SCHEMBL7592633 0.76
SCHEMBL692286 0.76 TKT (0.36) TKTALDH1A1
Sulfuric Acid SCHEMBL9358521 0.74
Sulfuric Acid SCHEMBL455172 0.68 TKT (0.33) TKTALDH1A1
Sulfuric Acid SCHEMBL6570245 0.68 TKT (0.33) TKTALDH1A1
SCHEMBL8020438 0.66 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5199655 0.60 CCNT1 (0.33) TKTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618902-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES Wella Aktiengesellschaft (DE) 1994-10-12 EP claimed
WO-1994008969-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1994-04-28 WO claimed
EP-1542647-A1 HAIR COLOURING AGENT COMPRISING INDOLE OR INDOLINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-22 EP disclosed
WO-2004024109-A1 HAIR COLOURING AGENT COMPRISING INDOLE OR INDOLINE DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-25 WO disclosed
EP-0618902-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES Wella Aktiengesellschaft (DE) 1994-10-12 EP disclosed
WO-1994008969-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed